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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 883 records · Page 49

All sources NASA NTRS DOE OSTI

DOE OSTI2014

Extending particle tracking capability with Delaunay triangulation

Here, particle tracking, the analysis of individual moving elements in time series of microscopic images, enables burgeoning new applications, but there is need to better resolve conformation and dynamics. Here we describe the advantages of Delaunay triangulation to extend the capabilities of particle tracking in three areas: (1) discriminating irregularly shaped objects, which allows one to track items other than point features; (2) combining time and space to better connect missing frames in trajectories; and (3) identifying shape backbone. To demonstrate the method, specific examples are given, involving analyzing the time-dependent molecular conformations of actin filaments and λ-DNA. The main limitation of this method, shared by all other clustering techniques, is the difficulty to separate objects when they are very close. This can be mitigated by inspecting locally to remove edges that are longer than their neighbors and also edges that link two objects, using methods described here, so that the combination of Delaunay triangulation with edge removal can be robustly applied to processing large data sets. As common software packages, both commercial and open source, can construct Delaunay triangulation on command, the methods described in this paper are both computationally efficient and easy to implement.

36 MATERIALS SCIENCE↗

DOE OSTI2019

GRACC: GRid ACcounting Collector

The OSG has long maintained a central accounting system called Gratia. It uses small probes on each computing and storage resource in order to collect resource usage. The probes report to a central collector which stores the usage in a database. The database is then queried to generate reports. As the OSG aged, the size of the database grew very large. It became too large for the database technology to efficiently query to generate detailed reports. The design of a replacement requires data storage that could be queried efficiently to generate multi-year reports. Additionally, it requires flexibilityto add new attributes to the collected data.In this paper we will describe updates to the GRACC architecture in the last 18 months. GRACC uses modern web technologies that were designed for large data storage, query, and visualization. That includes the open source database Elasticsearch, message broker software RabbitMQ, and Grafana and Kibana as data visualization platforms. It uses multiple agents that perform operations on the data to transform it for easier querying and summarization.

Weitzel, Derek↗

DOE OSTI2014

SU-E-T-64: CG-Based Radiation Therapy Simulator with Physical Modeling for Avoidance of Collisions Between Gantry and Couch Or Patient

Purpose: It is time-consuming and might cause re-planning to check couch-gantry and patient-gantry collisions on a radiotherapy machine when using couch rotations for non-coplanar beam angles. The aim of this study was to develop a computer-graphics (CG)-based radiation therapy simulator with physical modeling for avoidance of collisions between gantry and couch or patient on a radiotherapy machine. Methods: The radiation therapy simulator was three-dimensionally constructed including a radiotherapy machine (Clinac iX, Varian Medical Systems), couch, and radiation treatment room according to their designs by using a physical-modeling-based computer graphics software (Blender, free and open-source). Each patient was modeled by applying a surface rendering technique to their planning computed tomography (CT) images acquired from 16-slice CT scanner (BrightSpeed, GE Healthcare). Immobilization devices for patients were scanned by the CT equipment, and were rendered as the patient planning CT images. The errors in the collision angle of the gantry with the couch or patient between gold standards and the estimated values were obtained by fixing the gantry angle for the evaluation of the proposed simulator. Results: The average error of estimated collision angles to the couch head side was -8.5% for gantry angles of 60 to 135 degree, and -5.5% for gantry angles of 225 to 300 degree. Moreover, the average error of estimated collision angles to the couch foot side was -1.1% for gantry angles of 60 to 135 degree, and 1.4% for gantry angles of 225 to 300 degree. Conclusion: The CG-based radiation therapy simulator could make it possible to estimate the collision angle between gantry and couch or patient on the radiotherapy machine without verifying the collision angles in the radiation treatment room.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

Omics Metadata Management Software v. 1 (OMMS)

Our application, the Omics Metadata Management Software (OMMS), answers both needs, empowering experimentalists to generate intuitive, consistent metadata, and to perform bioinformatics analyses and information management tasks via a simple and intuitive web-based interface. Several use cases with short-read sequence datasets are provided to showcase the full functionality of the OMMS, from metadata curation tasks, to bioinformatics analyses and results management and downloading. The OMMS can be implemented as a stand alone-package for individual laboratories, or can be configured for web-based deployment supporting geographically dispersed research teams. Our software was developed with open-source bundles, is flexible, extensible and easily installed and run by operators with general system administration and scripting language literacy.

Powell, Amy↗

DOE OSTI2021

Axom

Axom is an open-source library of "building block" software components that provide core infrastructure capabilities for HPC applications. Such capabilities include: input file parsing and verification for various file formats, format specification for material shape input to multi-material simulations and tools for placing those shapes on meshes, parallel distributed coordination of diagnostic messages, geometric primitives, spatial queries and spatial search acceleration data structures, in memory key-value data store for managing simulation data and parallel file I/O. Axom components are used widely across LLNL Advanced Simulation and Computing program applications. It is also part of the LLNL institutionally-supported RADIUSS project, which promotes and funds its adoption by projects across LLNL.

Zagaris, George↗

DOE OSTI2024

Probabilistic Grid Reliability Analysis with Energy Storage Systems

SAND2025-12025O The Probabilistic Grid Reliability Analysis with Energy Storage Systems (ProGRESS) software tool is an open-source tool for assessing the resource adequacy of the evolving electric power grid integrated with energy storage systems (ESS). This tool uses a simulation engine to create diverse scenarios that test the limits of the modern power grid consisting of a high-volume ESS and variable energy resources (VER). Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Nguyen, Tu↗

DOE OSTI2026

SolVap_StarTer (Solvent Evaporation Graphical User Interface) [SWR-26-029]

SolVap_StarTer is an open-source solvent evaporation GUI. The software combines previously published (peer-reviewed scientific journals) evaporation and crystallization physics into an easy-to-use graphical interface. The software will allow the user to specify a coating composition and drying environment, and then predict the evolution of the film as it dries. Potential applications include tracking the change in multi-solvent composition and solute concentration in solution-processed perovskites films, predicting the point of crystallization, and calculating equivalent processing parameters for transferring a process between different coating and drying methods. Github repo: https://github.com/NatLabRockies/SolVap Streamlit app: https://solvap.streamlit.app/

Starger, Jesse [National Laboratory of the Rockies↗

DOE OSTI2024

A graphics processing unit accelerated sparse direct solver and preconditioner with block low rank compression

We present the GPU implementation efforts and challenges of the sparse solver package STRUMPACK. The code is made publicly available on github with a permissive BSD license. STRUMPACK implements an approximate multifrontal solver, a sparse LU factorization which makes use of compression methods to accelerate time to solution and reduce memory usage. Multiple compression schemes based on rank-structured and hierarchical matrix approximations are supported, including hierarchically semi-separable, hierarchically off-diagonal butterfly, and block low rank. Here, in this paper, we present the GPU implementation of the block low rank (BLR) compression method within a multifrontal solver. Our GPU implementation relies on highly optimized vendor libraries such as cuBLAS and cuSOLVER for NVIDIA GPUs, rocBLAS and rocSOLVER for AMD GPUs and the Intel oneAPI Math Kernel Library (oneMKL) for Intel GPUs. Additionally, we rely on external open source libraries such as SLATE (Software for Linear Algebra Targeting Exascale), MAGMA (Matrix Algebra on GPU and Multi-core Architectures), and KBLAS (KAUST BLAS). SLATE is used as a GPU-capable ScaLAPACK replacement. From MAGMA we use variable sized batched dense linear algebra operations such as GEMM, TRSM and LU with partial pivoting. KBLAS provides efficient (batched) low rank matrix compression for NVIDIA GPUs using an adaptive randomized sampling scheme. The resulting sparse solver and preconditioner runs on NVIDIA, AMD and Intel GPUs. Interfaces are available from PETSc, Trilinos and MFEM, or the solver can be used directly in user code. We report results for a range of benchmark applications, using the Perlmutter system from NERSC, Frontier from ORNL, and Aurora from ALCF. For a high frequency wave equation on a regular mesh, using 32 Perlmutter compute nodes, the factorization phase of the exact GPU solver is about 6.5× faster compared to the CPU-only solver. The BLR-enabled GPU solver is about 13.8× faster than the CPU exact solver. For a collection of SuiteSparse matrices, the STRUMPACK exact factorization on a single GPU is on average 1.9× faster than NVIDIA’s cuDSS solver.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Implementation of a Grid Connected Battery-Inverter Fleet Model

Batteries are designed to store electrical energy. The increasing variation in time value of energy has driven the use of batteries as controllable distributed energy resources (DER). This is enabled though low-cost power electronic inverters that are able to precisely control charge and discharge. This paper describes the software implementation of an open-source battery inverter fleet models in python. The Sandia BatterylnverterFleet class model can be used by scientists, researchers, and engineers to perform simulations of one or more fleets of similar battery-inverter systems connected to the grid. The program tracks the state- of-charge of the simulated batteries and ensures that they stay within their limits while responding to separately generated service requests to charge or discharge. This can be used to analyze control and coordination, placement and sizing, and many other problems associated with the integration of batteries on the power grid. The development of these models along with their python implementation was funded by the Grid Modernization Laboratory Consortium (GMLC) project 1.4.2. Definitions, Standards and Test Procedures for Grid Services from Devices.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Elevating SolTrace's Capabilities for the Next Generation of Concentrating Solar Analysis

SolTrace is an open-source Monte Carlo ray tracing software developed at NREL. SolTrace can characterize concentrating solar thermal (CST) collector optical performance and is CST technology agnostic. Shown in Fig. 1, SolTrace is a foundational tool in NREL's CST system and component modeling suite. SolTrace's generic surface elements can flexibly model novel collector and receiver designs to predict spatial and temporal flux distributions - critical to understand for CST component design, performance prediction, and system integration. Since its initial development, SolTrace has over 1,650 references on Google Scholar, over 9,800 downloads since 2017, and has served the CST research and development community as a benchmark of 3rd party verification. SolTrace provides users with many options for defining surface shape and boundaries. However, SolTrace provides limited documentation which can result in a steep learning curve for new users. Additionally, SolTrace lacks the computational performance required to evaluate optical performance of a CST system over the course of a year and/or iteratively over design parameters in a timely manner. To address this, we are working towards a new release of SolTrace that enables increased computational throughput by implementing ray tracing acceleration structures and enabling GPU parallelization. Additionally, we are working to improve SolTrace's usability, accessibility, and maintainability by (1) automating solar position time-dependent simulation processes, (2) creating general CST collector templates of grouped elements, (3) updating the user interface to better visualize model inputs and outputs, and (4) creating a user support network through forums, "how to" videos, and documentation.

14 SOLAR ENERGY↗

DOE OSTI2023

Towards Quantum Gravity in the Lab on Quantum Processors

The holographic principle and its realization in the AdS/CFT correspondence led to unexpected connections between general relativity and quantum information. This set the stage for studying aspects of quantum gravity models, which are otherwise difficult to access, in table-top quantum-computational experiments. Recent works have designed a special teleportation protocol that realizes a surprising communication phenomenon most naturally explained by the physics of a traversable wormhole. In this work, we have carried out quantum experiments based on this protocol on state-of-the-art quantum computers. The target quantum processing units (QPUs) included the Quantinuum's trapped-ion System Model H1-1 and five IBM superconducting QPUs of various architectures, with public and premium user access. We report the observed teleportation signals from these QPUs with the best one reaching 80% of theoretical predictions. We outline the experimental challenges we have faced in the course of implementation, as well as the new theoretical insights into quantum dynamics the work has led to. We also developed QGLab – an open-source end-to-end software solution that facilitates conducting the wormhole-inspired teleportation experiments on state-of-the-art and emergent generations of QPUs supported by the Q i s k i t and t k e t SDKs. We consider our study and deliverables as an early practical step towards the realization of more complex experiments for the indirect probing of quantum gravity in the lab.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Using Gravitational Lensing to Probe for Candidate Quintessential Galaxies in the Epoch of Reionization

Abstract Understanding the properties of the first generation of galaxies is an ongoing challenge in observational astrophysics. James Webb Space Telescope deep-field observations have led to the identification of large numbers of galaxies within the Epoch of Reionization (EoR); however, it remains observationally challenging to study the detailed properties of the most numerous, faint high- z galaxies without strong gravitational lensing. To this end, we present five m AB ≃ 24 galaxies, all projected behind the cores of massive clusters where high lensing magnifications significantly (≳1.5 mag) boost their observed brightness. These galaxies are each characterized by a drop-off in their spectra between the near-IR and optical wavelengths, suggesting the presence of a Lyman break at z > 6. The bright sources enable precise dropout color constraints. We combine the dropout data with follow-up imaging to constrain continuum slopes redward of their breaks. Using the open-source spectral energy distribution modeling software Prospector , we characterize two of these galaxies as probable high- z ( z ∼ 6.5–7) and three as probable low- z ( z ∼ 2) sources, demonstrating that for very bright ( m AB < 24) dropout candidates even limited photometric data have good power to distinguish between high- z galaxies and red or dusty low- z galaxies. The two candidate high- z dropouts are comparably bright to the brightest galaxies identified at such redshifts in deep fields, but due to lensing magnifications are intrinsically fainter by at least 1.5 mag. If confirmed, these galaxies represent exciting laboratories for performing detailed follow-up studies of galaxy properties within the EoR.

Roberson, Joshua [University of Cincinnati] (ORCID↗

DOE OSTI2016

ReEDS™ 2.0 Model (Regional Energy Deployment System Model) Version 2.0 [SWR-20-36 and SWR-09-14]

ReEDS™ is a capacity planning and dispatch model for the U.S. electricity system. As the National Laboratory of the Rockies (NLR's) flagship long-term power sector model, ReEDS has served as the primary analytic tool for many studies of electricity sector research questions. Example model results are available in the Scenario Viewer here: https://scenarioviewer.nlr.gov/. Quick-start guide The ReEDS model is written in Python, GAMS, and Julia. Python and Julia are free, open-source languages; GAMS requires a software license from the vendor. A step-by-step guide for getting started with ReEDS is available here: https://pages.github.nrel.gov/ReEDS/ReEDS-2.0/setup.html.

Short, Walter↗

DOE OSTI2015

The basics of least cost analysis for archaeological applications

Here we report that Least Cost Analysis (LCA) is a geospatially focused quantitative approach that can help archaeologists better understand how people may have moved across a landscape. At its core is the assumption that humans make decisions about movement as fully rational actors with complete knowledge of the landscape, attempting to minimize the cost of that movement as they travel from one location to another. LCA is most often used to construct a small number of hypothetical routes between locations of interest and, when used effectively, can even lead to the creation of entire transportation networks. Desktop GIS software packages, both commercial and open source, make running LCA relatively straightforward, but that does not necessarily mean that the output is informative or accurate. The following tutorial is designed to expose the reader to the foundational steps required to complete an LCA workflow, along with the scientific rationale behind each step and how to avoid potential pitfalls that one might run into along the way. Finally, relevant literature is cited throughout the tutorial in order to provide context for the technical methods that underpin available tools, to suggest various ways that LCA can be used to solve archaeological problems, and to show the art of the possible.

58 GEOSCIENCES↗

DOE OSTI2014

An integrated security framework for GOSS power grid analytics platform

In power grid operations, security is an essential component for any middleware platform. Security protects data against unwanted access as well as cyber attacks. GridOpticsTM Software System (GOSS) is an open source power grid analytics platform that facilitates ease of access between applications and data sources and promotes development of advanced analytical applications. GOSS contains an API that abstracts many of the difficulties in connecting to various heterogeneous data sources. A number of applications and data sources have already been implemented to demonstrate functionality and ease of use. A security framework has been implemented which leverages widely accepted, robust JavaTM security tools in a way such that they can be interchanged as needed. This framework supports the complex fine-grained, access control rules identified for the diverse data sources already in GOSS. Performance and reliability are also important considerations in any power grid architecture. An evaluation is done to determine the overhead cost caused by security within GOSS and ensure minimal impact to performance.

Gibson, Tara D.↗

DOE OSTI2013

Omics Metadata Management Software v. 1 (OMMS)

Source record↗

DOE OSTI2023

Open-Source Steady-State Models for Integration of Wave Energy Converter into Microgrids

This paper proposes a software framework, WEC-Grid, for integrating wave energy converters (WECs) into power flow software, such as Siemens PSS®E, to aid the integration of alternative energy sources into Microgrids. While integrating alternative sources such as WECs presents specific challenges such as cost, power quality, and power variability, wave energy is a promising renewable energy resource. Evaluating the integration of WECs into the power grid is a complex and nuanced problem that requires seamless communication between a WEC model and power flow software. The presented WEC-Grid software framework bridges and extends the functionality of WEC-Sim, an open-source WEC modeling package for MATLAB, through a wave-to-wire (W2W) electro-mechanical power conversion and processing model. WEC-Grid acts as a software wrapper, handler, and communication layer between the W2W modeler and power flow software. The software is designed to represent each grid system as a class object, allowing power system operators to perform power system duties such as contingency planning and dispatch operations. The integration of WECs with PSS®E’s power flow calculations workflow is demonstrated with an IEEE RTS case study.

16 TIDAL AND WAVE POWER↗

DOE OSTI2011

OpenStudio: An Open Source Integrated Analysis Platform; Preprint

High-performance buildings require an integrated design approach for all systems to work together optimally; systems integration needs to be incorporated in the earliest stages of design for efforts to be cost and energy-use effective. Building designers need a full-featured software framework to support rigorous, multidisciplinary building simulation. An open source framework - the OpenStudioSoftware Development Kit (SDK) - is being developed to address this need. In this paper, we discuss the needs that drive OpenStudio's system architecture and goals, provide a development status report (the SDK is currently in alpha release), and present a brief case study that illustrates its utility and flexibility.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗